HMDB0030659 RDKit 3D Takakin 34 36 0 0 0 0 0 0 0 0999 V2000 -6.3220 0.1440 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4292 0.8126 0.0572 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0787 0.5106 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 -0.4075 1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 -0.6726 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -0.0479 0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 -0.3048 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6868 -1.2085 1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -1.4022 1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6267 -2.2214 1.9587 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -0.6967 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2164 -0.8740 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 -1.7863 1.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 -0.1560 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 0.7383 -1.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1427 1.4587 -2.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9783 0.9004 -1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 1.7996 -2.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 0.1938 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9068 0.3468 -0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 0.8727 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1819 1.1451 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9315 0.2772 1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2213 -0.9457 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3489 0.5133 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 -0.8968 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8779 -1.3987 1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 -1.7777 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 -1.9201 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -0.2914 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6694 2.1080 -3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3878 1.9319 -2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 1.3775 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 1.8778 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 6 21 1 0 21 22 2 0 22 3 1 0 20 7 1 0 19 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 8 28 1 0 13 29 1 0 14 30 1 0 16 31 1 0 18 32 1 0 21 33 1 0 22 34 1 0 M END